2-[3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-triazol-1-yl]-N-[(Z)-(2-chlorophenyl)methylideneamino]acetamide

Formula:C15H12N11O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:low 2-[3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-triazol-1-yl]-N-[(Z)-(2-chlorophenyl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-triazol-1-yl]-N-[(Z)-(2-chlorophenyl)methylideneamino]acetamide
MolecularFormula	C15H12N11O3Cl
Smiles	Nc1nonc1-c1nc(-c2nonc2N)nn1CC(N/N=C\c(cccc1)c1Cl)=O
InChI	InChI=1S/C15H12ClN11O3/c16-8-4-2-1-3-7(8)5-19-21-9(28)6-27-15(11-13(18)26-30-24-11)20-14(22-27)10-12(17)25-29-23-10/h1-5H,6H2,(H2,17,25)(H2,18,26)(H,21,28)
InChIK	GCIVAOLCVZSUKE-UHFFFAOYSA-N
TotalMolweight	429.787
Molweight	429.787
MonoisotopicMass	429.081311
CLogP	1.0796
CLogS	-4.43
H Acceptors	14
H Donors	3
TotalSurfaceArea	313.87
Relative PSA	0.53353
PolarSurfaceArea	202.05
Druglikeness	6.8438
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	15
Electronegative Atoms	15
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Aromatic Nitrogens	7
StereoCon

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1 - 2-[3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-triazol-1-yl]-N-[(Z)-(2-chlorophenyl)methylideneamino]acetamide | 2 - 2-[3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-triazol-1-yl]-N-[(Z)-(2-chlorophenyl)methylideneamino]acetamide

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